Information card for entry 7036091

Structure parameters

• Formula: C44 H100 Cl2 Mg2 N2 O2 Si4
• Calculated formula: C44 H100 Cl2 Mg2 N2 O2 Si4
• SMILES: C(C)(C)[Si](C(C)C)(C(C)C)N([Mg]1([Cl][Mg](N([Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)([O]2CCCC2)[Cl]1)[O]1CCCC1)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Salt metathesis versus protonolysis routes for the synthesis of silylamide Hauser base (R2NMgX; X = halogen) and amido-Grignard (R2NMgR) complexes.
• Authors of publication: Goodwin, Conrad A. P.; Smith, Alex; Ortu, Fabrizio; Vitorica-Yrezabal, Iñigo J; Mills, David P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 6004 - 6014
• a: 10.7375 ± 0.0003 Å
• b: 12.4913 ± 0.0004 Å
• c: 20.6451 ± 0.0006 Å
• α: 90°
• β: 100.832 ± 0.003°
• γ: 90°
• Cell volume: 2719.69 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No